3-Bromo-2-fluorotoluene - CAS 59907-12-9

Name: 3-Bromo-2-fluorotoluene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB030553
Product Name:	3-Bromo-2-fluorotoluene
CAS:	59907-12-9
Synonyms:	1-bromo-2-fluoro-3-methylbenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-bromo-2-fluoro-3-methylbenzene
Description:	3-Bromo-2-fluorotoluene (CAS# 59907-12-9) is a useful research chemical.
Molecular Weight:	189.02
Molecular Formula:	C7H6BrF
Canonical SMILES:	CC1=C(C(=CC=C1)Br)F
InChI:	InChI=1S/C7H6BrF/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3
InChI Key:	LZVNGSFAHGKCDM-UHFFFAOYSA-N
Boiling Point:	186 °C
Purity:	98 %
Density:	1.52 g/cm³
MDL:	MFCD04972694
LogP:	2.89660

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Related Functional Groups

Fluorinated Building Blocks

[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

Halides

[134005-20-2]C4H6I2
(Z)-1,3-Diiodo-2-butene
[1448610-48-7]C11H13BrO
1-(4-Bromo-3-methylphenyl)cyclobutanol
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[444581-46-8]C8H7BrF2
1-Bromo-2-(1,1-difluoroethyl)benzene
[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid

Other Pyrimidines

[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[937601-34-8]C9H8BrN3O2
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[81290-20-2]C4H9F3Si
Trimethyl(trifluoromethyl)silane
[1160246-50-3]C14H14F3N3O
2-((4-(P-Tolyl)-6-(trifluoromethyl)pyrimidin-2-yl)oxy)ethanamine

GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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WO-2021138315-A1	Compounds and compositions for treating cns disorders	20200103
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WO-2020112937-A1	Tyk2 inhibitors and uses thereof	20181130
WO-2019234115-A1	Alkoxy-substituted pyridinyl derivatives as lpa1 receptor antagonists and their use in the treatment of fibrosis	20180607

Complexity:	94.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.96369
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	187.96369
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1